CID 10384207

Ns00116522

Structural Information

Molecular Formula
C19H25ClN2O3
SMILES
CC1(C(C2=C(O1)C(=CC(=C2)Cl)C(=O)NC3CC4CCC(C3)N4C)O)C
InChI
InChI=1S/C19H25ClN2O3/c1-19(2)17(23)14-6-10(20)7-15(16(14)25-19)18(24)21-11-8-12-4-5-13(9-11)22(12)3/h6-7,11-13,17,23H,4-5,8-9H2,1-3H3,(H,21,24)
InChIKey
NBWGHXIOQAPXMZ-UHFFFAOYSA-N
Compound name
5-chloro-3-hydroxy-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3H-1-benzofuran-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15536 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16264 187.6
[M+Na]+ 387.14458 195.5
[M-H]- 363.14808 192.6
[M+NH4]+ 382.18918 206.2
[M+K]+ 403.11852 190.5
[M+H-H2O]+ 347.15262 182.9
[M+HCOO]- 409.15356 196.2
[M+CH3COO]- 423.16921 197.3
[M+Na-2H]- 385.13003 185.9
[M]+ 364.15481 188.8
[M]- 364.15591 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.